1M5W

1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-21
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 21 21 21
Unit cell lengths	100.007, 129.404, 176.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.960
R-factor	0.236
Rwork	0.195
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ho4
RMSD bond length	0.007
RMSD bond angle	1.210 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.045	0.254
Total number of observations	494561 *
Number of reflections	157249
<I/σ(I)>	18.8	2.6
Completeness [%]	96.0	84.4
Redundancy	4.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	297	PEG 8000, PEG 1000, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	10 (%)
2	1	reservoir	PEG1000	10 (%)
3	1	drop	protein	12 (mg/ml)
4	1	drop	dXP	4 (mM)